Products for Research Use Only
RegisterLogin

Glucocorticoid receptor modulator 3

CAT: 0931-T88584-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T88584-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2688785-13-7
Target
Glucocorticoid Receptor
Related Pathways
Endocrinology/Hormones
Bioactivity
Glucocorticoid receptor modulator3 (Payload 6) is a thioester-based modulator of the glucocorticoid receptor, exhibiting a potent IC50 value of 0.6 nM. This compound is deactivated through rapid hepatic metabolism, minimizing systemic exposure of its unconjugated active payload. Glucocorticoid receptor modulator3 is suitable for development in antibody-drug conjugates (ADCs) targeted at autoimmune diseases.
Smiles
O(C(=O)C1=CC(N)=C(F)C=C1)[C@@]2(C(SCF)=O)[C@]3(C)[C@@](C[C@H]2C)([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H]
Molecular Formula
C29H32F3NO5S
Molecular Weight
563.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Glucocorticoid receptor modulator 3
CAS Number2688785-13-7
PubChem CID172638533
IUPAC Name[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 3-amino-4-fluorobenzoate
Molecular FormulaC29H32F3NO5S
Molecular Weight563.6
XLogP4.8
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity1130
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5=CC(=C(C=C5)F)N)C)O)F)C
InChI
InChI=1S/C29H32F3NO5S/c1-15-10-20-19-6-5-17-12-18(34)8-9-26(17,2)28(19,32)23(35)13-27(20,3)29(15,25(37)39-14-30)38-24(36)16-4-7-21(31)22(33)11-16/h4,7-9,11-12,15,19-20,23,35H,5-6,10,13-14,33H2,1-3H3/t15-,19+,20+,23+,26+,27+,28+,29+/m1/s1
InChIKey
IIUNCAMFVUGZCM-XXINUGISSA-N
Chemical Structure
2D Structure
2D structure of Glucocorticoid receptor modulator 3
CAS: 2688785-13-7
CID: 172638533
Formula: C29H32F3NO5S
MW: 563.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass563.19532878
Monoisotopic Mass563.19532878
Topological Polar Surface Area132 Ų
Heavy Atom Count39
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T72102-01Glucocorticoid receptor modulator 1
T88723-01Glucocorticoid receptor modulator 4
T209710-01Glucocorticoid receptor/NF-κB modulator-1
T205029-01GABAA receptor modulator-3
T87703-01Glucocorticoid receptor agonist-3
T60685-01NMDA receptor modulator 3
T204593-01Androgen receptor modulator 3
T63551-01Glucocorticoid receptor-IN-1
T11417-01Glucocorticoid receptor agonist
T63539-01Glucocorticoid receptor-IN-2

Alternative Products

CatalogName
HY-151876-01Glucocorticoid receptor modulator 1
GTR19236459-01Glucocorticoid receptor modulator 3
GTR19236314-01Glucocorticoid receptor modulator 4
HY-149165-01Glucocorticoid receptor modulator 2
sc-221677Glucocorticoid Receptor Modulator, CpdA
GTR19262353-01Glucocorticoid receptor/NF-κB modulator-1
AP83173Glucocorticoid receptor
RK08434Rat Glucocorticoid receptor (Glucocorticoid Receptor /Nr3c1) ELISA Kit
GTR18160420Glucocorticoid Receptor Antibody
A3438-5.1Glucocorticoid receptor agonist

Popular Products